CID 15958921

1-(4-benzoylpiperazin-1-yl)-2-(7-hydroxy-4-methoxy-1h-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C21H20N4O5
SMILES
COC1=CNC(=O)C2=C1C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4O5/c1-30-15-12-23-19(27)17-16(15)14(11-22-17)18(26)21(29)25-9-7-24(8-10-25)20(28)13-5-3-2-4-6-13/h2-6,11-12,22H,7-10H2,1H3,(H,23,27)
InChIKey
MXGQLSFNDFKTQK-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.14337 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15065 193.8
[M+Na]+ 431.13259 199.5
[M-H]- 407.13609 196.9
[M+NH4]+ 426.17719 199.2
[M+K]+ 447.10653 193.8
[M+H-H2O]+ 391.14063 183.0
[M+HCOO]- 453.14157 204.7
[M+CH3COO]- 467.15722 200.6
[M+Na-2H]- 429.11804 192.2
[M]+ 408.14282 191.5
[M]- 408.14392 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.